5-bromanyl-2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine

Systemtic Name: 5-bromanyl-2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 5-bromo-2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 5-bromo-2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 5-bromo-2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 5-bromo-2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C21H24BrN5O3S MolecularWeight: 506.41596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CCCOC)SC3=NC=C(C=C3[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CCCOC)SC3=NC=C(C=C3[N+](=O)[O-])Br

InChI

InChI=1S/C21H24BrN5O3S/c1-21(2,3)15-8-6-14(7-9-15)18-24-25-20(26(18)10-5-11-30-4)31-19-17(27(28)29)12-16(22)13-23-19/h6-9,12-13H,5,10-11H2,1-4H3